Cas no 94135-27-0 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI))
![Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI) structure](https://ossimg.kuujia.com/scimg/94500/94135-27-0x500.png)
94135-27-0 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI)
CAS No:94135-27-0
MF:C29H40O7
MW:500.62370967865
CID:806984
PubChem ID:44152302
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI)
- 11beta,21-dihydroxy-16beta,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-pivalate
- 94135-27-0
- NS00121229
- DTXSID90240751
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- Inchi： 1S/C29H40O7/c1-25(2,3)24(33)34-15-21(32)29-22(35-26(4,5)36-29)13-19-18-9-8-16-12-17(30)10-11-27(16,6)23(18)20(31)14-28(19,29)7/h10-12,18-20,22-23,31H,8-9,13-15H2,1-7H3/t18-,19-,20-,22?,23+,27-,28-,29+/m0/s1
- InChI Key： FAPMGCFSVXGXMO-YCWYSMAFSA-N
- SMILES： O1C(C)(C)OC2C[C@H]3[C@@H]4CCC5=CC(C=C[C@]5(C)[C@H]4[C@H](C[C@]3(C)[C@]12C(COC(C(C)(C)C)=O)=O)O)=O
Computed Properties
- Exact Mass: 500.27740361g/mol
- Monoisotopic Mass: 500.27740361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 36
- Rotatable Bond Count: 5
- Complexity: 1060
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 99.1?2
Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI) Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
94135-27-0 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16b)- (9CI)) Related Products
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